CHEBI:227275 - Brasilamide J

ChEBI IDCHEBI:227275
ChEBI NameBrasilamide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23NO6
Net Charge0
Average Mass337.372
Monoisotopic Mass337.15254
SMILESCC(=O)OCC1(O)CCC(C2=C/C(=C/[C@H](C)C(N)=O)OC2=O)CC1
InChIInChI=1S/C17H23NO6/c1-10(15(18)20)7-13-8-14(16(21)24-13)12-3-5-17(22,6-4-12)9-23-11(2)19/h7-8,10,12,22H,3-6,9H2,1-2H3,(H2,18,20)/b13-7-/t10-,12?,17?/m0/s1
InChIKeyBMCRLWGEWHAFJC-ROJSCWEVSA-N
Species of MetaboliteComponentSourceComments
Paraconiothyrium brasiliense (ncbitaxon:300254) - PubMed (25760674)
ChEBI Ontology
Outgoing Relation(s)
Brasilamide J (CHEBI:227275) is a cyclohexanols (CHEBI:23480)
IUPAC Name 
[4-[(5Z)-5-(3-amino-2-methyl-3-oxopropylidene)-2-oxouran-3-yl]-1-hydroxycyclohexyl]methyl acetate
Manual XrefsDatabases
78443675ChemSpider